Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00228701
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
EI1 | 3-ETHYL-2-(4-HYDROXYPHENYL)-2H- INDAZOL-5-OL | A,B | 2QAB | 0.74 | |
124 | 2-(2-HYDROXY-PHENYL)-1H-INDOLE- 5-CARBOXAMIDINE | A | 1GI6 | 0.73 | |
7NH | [2'-HYDROXY-3'-(1H-PYRROLO[3,2- C]PYRIDIN-2-YL)-BIPHENYL-3-YLMETHYL]- UREA | H | 2FLR | 0.7 | |
2AQ | QUINOLIN-2-AMINE | A | 2OHL | 0.72 | |
SRO | SEROTONIN | A,B | 3BRN | 0.71 | |
SRO | SEROTONIN | A | 2QEH | 0.71 | |
DQU | 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE | A | 1R5Y | 0.73 | |
DQU | 2,6-DIAMINO-3H-QUINAZOLIN-4-ONE | A | 1Q4W | 0.73 | |
IMQ | (2R,3R,4S)-2-(hydroxymethyl)-1- (quinolin-8-ylmethyl)pyrrolidine- 3,4-diol | A,B | 3EPX | 0.71 | |
HQU | 3-HYDROXYQUINALDIC ACID | C,D | 193D | 0.73 | |
QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | C | 2JQ7 | 0.7 | |
QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | B | 1OLN | 0.7 | |
QUA | 8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE- 2-CARBOXYLIC ACID | A | 1E9W | 0.7 | |
PRM | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]- 6-PHENYLPHENANTHRIDINIUM | A,B | 1N5R | 0.72 | |
DPT | 4,7-DIMETHYL-[1,10]PHENANTHROLINE | A,B | 1I53 | 0.7 | |
DCU | A,B | 1J07 | 0.72 | ||
696 | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3G | 0.74 | |
696 | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3E | 0.74 | |
696 | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | H,I | 1O2G | 0.74 | |
696 | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | B | 1O5A | 0.74 | |
696 | 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL- 2-YL}-1,1'-BIPHENYL-2-OLATE | A | 1O3F | 0.74 | |
772 | 2-CYANOQUINOLIN-8-YL DIHYDROGEN PHOSPHATE | A | 1O4H | 0.75 | |
BMO | N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9- YLAMINO)PROPYL]PROPANE-1,3-DIAMINE | A | 2GJB | 0.72 | |
BRE | 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL- QUINOLINE-4-CARBOXYLIC ACID | A | 1D3G | 0.83 | |
QUN | QUINACRINE | A,B | 1JQE | 0.72 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYN | 0.71 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A,B | 2QYK | 0.71 | |
NPV | 4-[8-(3-nitrophenyl)-1,7-naphthyridin- 6-yl]benzoic acid | A | 2QYL | 0.71 | |
CQA | 4-[(7-CHLOROQUINOLIN-4-YL)AMINO]- 2-[(DIETHYLAMINO)METHYL]PHENOL | A,B | 2AOU | 0.74 | |
760 | 9-(3-PHENYLMETHYLAMINO)-1,2,3,4- TETRAHYDROACRIDINE | A | 1DX4 | 0.76 | |
I4A | 5-(3-carbamoylbenzyl)-5,6,7,8,9,10- hexahydrocyclohepta[b]indole-4- carboxylic acid | A | 3FR5 | 0.7 | |
NPM | N-[(1E)-PYRIDIN-2-YLMETHYLENE]- N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE | A,B | 2ET0 | 0.71 | |
NSC | N,N'-BIS(4-AMINO-2-METHYLQUINOLIN- 6-YL)UREA | A,B | 1PWP | 0.72 | |
FBQ | 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN- 3-YL)METHYL]THIO}METHYL)PHENYL]- 2,2,2-TRIFLUOROETHANE-1,1-DIOL | A | 1HBJ | 0.82 | |
132 | 6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE | H | 1O5E | 0.71 | |
132 | 6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE | B | 1GJ7 | 0.71 | |
132 | 6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE | H,I | 1GJ4 | 0.71 | |
132 | 6-CHLORO-2-(2-HYDROXY-BIPHENYL- 3-YL)-1H-INDOLE-5-CARBOXAMIDINE | A | 1GJ6 | 0.71 | |
MM0 | N,N'-(dibenzo[b,j][1,7]phenanthroline- 2,10-diyldimethanediyl)dipropan- 1-amine | B | 2JWQ | 0.72 | |
I40 | 9-(3-IODOBENZYLAMINO)-1,2,3,4-TETRAHYDROACRIDINE | A | 1QON | 0.75 | |
PRL | PROFLAVIN | H,I | 1BCU | 0.77 | |
PRL | PROFLAVIN | A,B,D,E | 1QVT | 0.77 | |
PRL | PROFLAVIN | A,B | 2KD4 | 0.77 | |
PRL | PROFLAVIN | A | 1QVU | 0.77 | |
9AC | 9-ACRIDINECARBONYL | A,B,G,J,K,L,M | 1G3X | 0.75 | |
MTK | MONTELUKAST | A | 2NNI | 0.76 | |
DEH | 2,9-dihydroxy-3,10-dimethoxy-5,6- dihydroisoquino[3,2-a]isoquinolinium | A | 3GSY | 0.7 | |
THA | TACRINE | A,B | 2AOW | 0.78 | |
THA | TACRINE | A,B,C,D,E,F | 1MX1 | 0.78 | |
THA | TACRINE | A,B | 2AOX | 0.78 | |
THA | TACRINE | A | 1ACJ | 0.78 | |
7IP | 6-[2-(3'-METHOXYBIPHENYL-3-YL)ETHYL]PYRIDIN- 2-AMINE | A | 2OHQ | 0.73 | |
8CA | 9-benzyl-2,3,4,9-tetrahydro-1H- carbazole-8-carboxylic acid | A | 3FR2 | 0.72 | |
PF7 | 4-(quinolin-3-ylmethyl)piperidine- 1-carboxylic acid | A,B | 2VYA | 0.73 | |
BRF | A | 1UUO | 0.82 | ||
238 | A | 2PRH | 0.77 | ||
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C | 1KQG | 0.85 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,D,E,F | 2VR0 | 0.85 | |
HQO | 2-HEPTYL-4-HYDROXY QUINOLINE N- OXIDE | A,B,C,M,N,O,P | 1KF6 | 0.85 | |
615 | (1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin- 4-yl)methoxy]benzyl}cyclopropane- 1,2-dicarboxamide | A,B | 3E8R | 0.7 | |
A8N | N-9-(1',2',3',4'-TETRAHYDROACRIDINYL)- 1,8-DIAMINOOCTANE | A | 1UT6 | 0.74 | |
DEQ | DEQUALINIUM | A,B,D,E | 1JT6 | 0.73 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR2 | 0.73 | |
DEQ | DEQUALINIUM | A | 1OYD | 0.73 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BT9 | 0.73 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BTJ | 0.73 | |
DEQ | DEQUALINIUM | A,B,D,E | 3BR1 | 0.73 | |
F11 | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLPENTANE-1,5-DIAMINE | A | 2CMF | 0.73 | |
AA7 | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN- 9-YLHEPTANE-1,7-DIAMINE | A | 2CKM | 0.72 | |
CRZ | 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID | A | 1TOW | 0.71 | |
T98 | 5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO- 2H-3,1-BENZOXAZIN-6-YL)-1-METHYL- 1H-PYRROLE-2-CARBONITRILE | A,B | 1ZUC | 0.73 | |
QND | QUINALDIC ACID | A,B | 1IDA | 0.78 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | C,D,E | 1NU1 | 0.85 | |
QNO | 2-NONYL-4-HYDROXYQUINOLINE N-OXIDE | A,B,C,D,G | 2E75 | 0.85 | |
1IQ | 2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5- DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE- 3-CARBOXYLIC ACID | A | 1Z8N | 0.7 | |
9HP | 9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINE | A | 1PMU | 0.81 | |
VX3 | 2,3-diphenyl-1H-indole-7-carboxylic acid | A | 3BGZ | 0.71 | |
HUX | 3-CHLORO-9-ETHYL-6,7,8,9,10,11- HEXAHYDRO-7,11-METHANOCYCLOOCTA[B]QUINOLIN- 12-AMINE | A | 1E66 | 0.72 | |
D3E | N-cyclopropyl-N-(trans-4-pyridin- 3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro- 1-hydroxy-1-methylethyl]benzamide | A,B,C,D | 3D3E | 0.7 |